FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2890366945> ?p ?o ?g. }

• W2890366945 endingPage "11849" @default.
• W2890366945 startingPage "11839" @default.
• W2890366945 abstract "The determination of the absolute configuration of chiral alcohols and amines is typically carried out with modified Mosher methods involving a double-derivatization strategy. On the other hand, the number of robust and reliable methods to accomplish that goal using a single derivatization approach is much less abundant and mainly limited to secondary alcohols or primary amines. Herein, we report a conceptually novel strategy to settle the most likely absolute configuration of a wide variety of substrates and chiral derivatizing agents following a single-derivatization experiment coupled with quantum calculations of NMR shifts and DP4+ analysis. Using an ambitious set of 114 examples, our methodology succeeded in setting the correct absolute configuration of the substrates in 96% of the cases. The classification achieved with secondary alcohols, secondary amines, and primary amines herein studied was excellent (100%), whereas more modest results (89%) were observed for primary and tertiary alcohols. Moreover, a new DP4+ integrated probability was built to strengthen the analysis when the NMR data of the two possible diastereoisomers are available. The suitability of these methods in solving the absolute configuration of two relevant cases of stereochemical misassignment ((+)-erythro-mefloquine and angiopterlactone B) is also provided." @default.
• W2890366945 created "2018-09-27" @default.
• W2890366945 creator A5006010494 @default.
• W2890366945 creator A5021611501 @default.
• W2890366945 creator A5049303877 @default.
• W2890366945 creator A5080245798 @default.
• W2890366945 date "2018-09-04" @default.
• W2890366945 modified "2023-10-16" @default.
• W2890366945 title "General Quantum-Based NMR Method for the Assignment of Absolute Configuration by Single or Double Derivatization: Scope and Limitations" @default.
• W2890366945 cites W1932807774 @default.
• W2890366945 cites W1933690368 @default.
• W2890366945 cites W1963959097 @default.
• W2890366945 cites W1967365705 @default.
• W2890366945 cites W1967698682 @default.
• W2890366945 cites W1970968105 @default.
• W2890366945 cites W1973019251 @default.
• W2890366945 cites W1986387449 @default.
• W2890366945 cites W1988982985 @default.
• W2890366945 cites W1989696154 @default.
• W2890366945 cites W1997151511 @default.
• W2890366945 cites W1999058114 @default.
• W2890366945 cites W1999410780 @default.
• W2890366945 cites W2005674840 @default.
• W2890366945 cites W2012547208 @default.
• W2890366945 cites W2018191599 @default.
• W2890366945 cites W2018281091 @default.
• W2890366945 cites W2019543737 @default.
• W2890366945 cites W2021187585 @default.
• W2890366945 cites W2022122704 @default.
• W2890366945 cites W2023043685 @default.
• W2890366945 cites W2025253673 @default.
• W2890366945 cites W2040622866 @default.
• W2890366945 cites W2041904173 @default.
• W2890366945 cites W2045101663 @default.
• W2890366945 cites W2045961932 @default.
• W2890366945 cites W2052799234 @default.
• W2890366945 cites W2053701172 @default.
• W2890366945 cites W2054067239 @default.
• W2890366945 cites W2054164390 @default.
• W2890366945 cites W2058151515 @default.
• W2890366945 cites W2059144438 @default.
• W2890366945 cites W2073073396 @default.
• W2890366945 cites W2082084491 @default.
• W2890366945 cites W2083527226 @default.
• W2890366945 cites W2086579838 @default.
• W2890366945 cites W2088482039 @default.
• W2890366945 cites W2090027368 @default.
• W2890366945 cites W2092014467 @default.
• W2890366945 cites W2096884546 @default.
• W2890366945 cites W2108209761 @default.
• W2890366945 cites W2111769513 @default.
• W2890366945 cites W2117494840 @default.
• W2890366945 cites W2135378924 @default.
• W2890366945 cites W2148141870 @default.
• W2890366945 cites W2149648243 @default.
• W2890366945 cites W2156115804 @default.
• W2890366945 cites W2162301262 @default.
• W2890366945 cites W2171105027 @default.
• W2890366945 cites W2181272003 @default.
• W2890366945 cites W2320180625 @default.
• W2890366945 cites W2323943045 @default.
• W2890366945 cites W2327484040 @default.
• W2890366945 cites W2331759379 @default.
• W2890366945 cites W2343386623 @default.
• W2890366945 cites W2431218509 @default.
• W2890366945 cites W2465478525 @default.
• W2890366945 cites W2515527150 @default.
• W2890366945 cites W2546870775 @default.
• W2890366945 cites W2560348032 @default.
• W2890366945 cites W2592001068 @default.
• W2890366945 cites W2594143502 @default.
• W2890366945 cites W2599362361 @default.
• W2890366945 cites W2606831468 @default.
• W2890366945 cites W2614497590 @default.
• W2890366945 cites W2625632262 @default.
• W2890366945 cites W2740603110 @default.
• W2890366945 cites W2754880077 @default.
• W2890366945 cites W2766771418 @default.
• W2890366945 cites W2783254255 @default.
• W2890366945 cites W2788902285 @default.
• W2890366945 cites W2793193084 @default.
• W2890366945 cites W2796078370 @default.
• W2890366945 cites W2950412550 @default.
• W2890366945 cites W4240907945 @default.
• W2890366945 cites W4254863637 @default.
• W2890366945 cites W1533689187 @default.
• W2890366945 doi "https://doi.org/10.1021/acs.joc.8b01749" @default.
• W2890366945 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30180574" @default.
• W2890366945 hasPublicationYear "2018" @default.
• W2890366945 type Work @default.
• W2890366945 sameAs 2890366945 @default.
• W2890366945 citedByCount "18" @default.
• W2890366945 countsByYear W28903669452019 @default.
• W2890366945 countsByYear W28903669452020 @default.
• W2890366945 countsByYear W28903669452021 @default.
• W2890366945 countsByYear W28903669452022 @default.
• W2890366945 countsByYear W28903669452023 @default.
• W2890366945 crossrefType "journal-article" @default.

• next